SCHEMBL3145891

SCHEMBL3145891

COc1ccc(C(N)c2ccc(OCC(=O)O)cc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
BCHE P06276 1/20 0.43
TYR P14679 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 4/20 0.43
GAA P10253 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM8 O00222 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3507493 1.00 THRA (0.57) THRATHRBLMNANPC1RAB9A
SCHEMBL3507489 1.00 THRA (0.57) THRATHRBLMNANPC1RAB9A
SCHEMBL29097361 0.93 THRA (0.52) THRATHRBLMNANPC1RAB9A
SCHEMBL14416299 0.90 THRA (0.47) THRATHRBLMNANPC1RAB9A
SCHEMBL7524928 0.90 THRA (0.47) THRATHRBLMNANPC1RAB9A
Octadecanoic Acid Amide SCHEMBL29097633 0.88 THRA (0.48) THRATHRBLMNANPC1RAB9A
SCHEMBL14123994 0.86 NPC1 (0.52) THRATHRBLMNANPC1RAB9A
SCHEMBL4205511 0.86 FFAR1 (0.49) THRATHRBNPC1RAB9ABCHE
SCHEMBL6026352 0.86 THRA (0.55) THRATHRBLMNANPC1RAB9A
SCHEMBL12532976 0.84 RAB9A (0.50) THRATHRBLMNANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801200-A Preparation method of carbetocin 浙江湃肽生物有限公司 2021-12-17 CN claimed
CN-116947919-A Fmoc-benzhydrylamine derivatives for synthesis of carbon-terminal amidated polypeptides and method for preparing same 山西医科大学 2023-10-27 CN disclosed
EP-3778621-B1 PEPTIDE SYNTHESIS METHOD JITSUBO CO LTD (JP) 2023-08-23 EP disclosed
EP-4219526-A2 METHOD FOR PREPARING AMG 416 AMGEN, INC. (US) 2023-08-02 EP disclosed
CN-113801200-B Preparation method of carbetocin 浙江湃肽生物有限公司 2023-07-25 CN disclosed
US-20230099078-A1 METHOD FOR PREPARING AMG 416 (ETELCALCETIDE) AMGEN INC. 2023-03-30 US disclosed
EP-3708576-B1 METHOD FOR PREPARING AMG 416 AMGEN INC (US) 2023-02-22 EP disclosed
US-11377474-B2 Method for preparing AMG 416 (etelcalcetide) AMGEN INC. (US) 2022-07-05 US disclosed
CN-113801200-A Preparation method of carbetocin 浙江湃肽生物有限公司 2021-12-17 CN disclosed
US-20210139532-A1 PEPTIDE SYNTHESIS METHOD JITSUBO CO., LTD. (JP) 2021-05-13 US disclosed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP disclosed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP disclosed
EP-0840804-A1 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACID MOLECULES UTILIZING SIZING TECHNIQUES DARWIN MOLECULAR CORPORATION (US) 1998-05-13 EP disclosed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO disclosed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO disclosed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO disclosed
WO-1997027325-A2 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACID MOLECULES UTILIZING SIZING TECHNIQUES RAPIGENE, INC. (US) 1997-07-31 WO disclosed
US-5565426-A ANTI-AGGREGATION, INHIBTION OF BLOOD CLOTTING ADIR ET COMPAGNIE (FR) 1996-10-15 US disclosed
EP-0578535-B1 New peptide derivates active in the process of cell adhesion, a method to prepare them end pharmaceutical compositions containing them ADIR (FR) 1996-08-21 EP disclosed
EP-0578535-A1 New peptide derivates active in the process of cell adhesion, a method to prepare them end pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210139532-A1 PEPTIDE SYNTHESIS METHOD NPPA, ANPEP, VIP THRA 980/4885THRB 1405/4885LMNA 746/4885
US-11377474-B2 Method for preparing AMG 416 (etelcalcetide) CYP24A1, PTH1R, MME THRA 2266/4885THRB 2824/4885LMNA 1935/4885
US-20230099078-A1 METHOD FOR PREPARING AMG 416 (ETELCALCETIDE) CYP24A1, PTH1R, MME THRA 2266/4885THRB 2824/4885LMNA 1935/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.